N-(isoquinolin-3-yl)-2-thioxo-1,2-dihydropyridine-3-carboxamide | 864461-10-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-(isoquinolin-3-yl)-2-thioxo-1,2-dihydropyridine-3-carboxamide
• 英文别名: N-isoquinolin-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
• CAS: 864461-10-9
• 化学式: C₁₅H₁₁N₃OS
• 分子量: 281.338
• InChiKey: UTNBIDTUXIVZNL-UHFFFAOYSA-N

物化性质

• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.1
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein
  申请人：Honda Takahiro

  公开号：US20070149574A1

  公开（公告）日：2007-06-28

  A novel cyclic compound having a 4-pyridylalkylthio group having an (un)substituted amino group introduced therein or a salt thereof. They are useful as a medicine. The cyclic compound is a compound represented by the following formula (1), which is useful for the treatment of diseases in which angiogenesis participates. In the following formula (1), ring A represents a benzene ring or a 5- or 6-membered aromatic heterocycle optionally fused with a cycloalkane ring; B represents alkylene; R 1 and R 2 each represents H, (substituted) aryl, (substituted) heterocyclic group, etc.; R 3 and R 4 each represents H, (substituted) alkyl, (substituted) cycloalkyl, -Z-R 5 , etc.; R 5 represents (substituted) alkyl, (substituted) aryl, (substituted) heterocyclic group, etc.; X and Y each represents H, etc.; Z represents —CO—, —COO—, —CONR 6 —, —SO 2 —, etc.; R 6 represents H, etc.; p is 0, 1, or 2; and q is 0 or 1.

  一种具有4-吡啶基烷基硫基团的新型环状化合物，其中引入了（未）取代氨基或其盐。它们可用作药物。环状化合物是由以下式（1）表示的化合物，可用于治疗参与血管生成的疾病。在下式（1）中，环A表示苯环或5-或6-成员芳香杂环，可选择地与环烷环融合；B表示烷基；R1和R2各表示H，（取代）芳基，（取代）杂环基等；R3和R4各表示H，（取代）烷基，（取代）环烷基，-Z-R5等；R5表示（取代）烷基，（取代）芳基，（取代）杂环基等；X和Y各表示H等；Z表示-CO-，-COO-，-CONR6-，-SO2-等；R6表示H等；p为0、1或2；q为0或1。
• Novel cyclic compound having quinolylalkylthio group
  申请人：Kawashima Kenji

  公开号：US20080021064A1

  公开（公告）日：2008-01-24

  The present invention relates to a synthesis study of novel cyclic compounds having a quinolylalkylthio group represented by the formula (1), and pharmacological actions of the compounds. In the formula, the ring X represents: which may have halogen and/or alkyl; R 1 and R 2 independently represent hydrogen, alkyl, cycloalkyl, aryl or a (non) aromatic heterocycle; R 3 represents qinolyl; A represents sulfur, sulfinyl or sulfonyl; and B represents alkylene.

  本发明涉及一种合成具有式（1）所表示的喹诺基烷基硫基的新型环状化合物的研究，以及所述化合物的药理作用。在该式中，环X代表：可能具有卤素和/或烷基；R1和R2独立地表示氢、烷基、环烷基、芳基或（非）芳香杂环；R3表示喹诺基；A表示硫、亚砜或磺酰基；B表示烷基。
• NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：EP1854787B1

  公开（公告）日：2010-09-01
• NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN
  申请人：SANTEN PHARMACEUTICAL CO., LTD.

  公开号：EP1717229B1

  公开（公告）日：2011-06-15
• US7544703B2
  申请人：——

  公开号：US7544703B2

  公开（公告）日：2009-06-09